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114838-46-9 | Benzo[b]thiophene, 3-(2-phenylethyl)-
CAS No: 114838-46-9 Catalog No: AG000FBH MDL No:
Product Description
Catalog Number:
AG000FBH
Chemical Name:
Benzo[b]thiophene, 3-(2-phenylethyl)-
CAS Number:
114838-46-9
Molecular Formula:
C16H14S
Molecular Weight:
238.3474
IUPAC Name:
3-(2-phenylethyl)-1-benzothiophene
InChI:
InChI=1S/C16H14S/c1-2-6-13(7-3-1)10-11-14-12-17-16-9-5-4-8-15(14)16/h1-9,12H,10-11H2
InChI Key:
XWRUHVYFDVKKGZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCc1csc2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.348g/mol
Monoisotopic Mass:
238.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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